SCHEMBL12696765

SCHEMBL12696765

C=C(OC(C)(C)C)N1CCN(c2ccc(OC)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.47
▸ HRH3 Q9Y5N1 4/20 0.47
▸ ME2 P23368 2/20 0.45
▸ ME1 P48163 2/20 0.45
▸ ME3 Q16798 2/20 0.45
▸ PPARA Q07869 1/20 0.44
▸ DHFR P00374 1/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ RET P07949 1/20 0.39
▸ KMT2A Q03164 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16473496 0.85 GPR119 (0.64) GPR119HRH3ME2ME1ME3
SCHEMBL7932466 0.84 PANK3 (0.46) GPR119HRH3PPARADHFRHPGD
SCHEMBL19446825 0.76 MAP4K4 (0.39) GPR119ME2ME1ME3HPGD
SCHEMBL22644657 0.75 GPR119 (0.64) GPR119ME2ME1ME3HPGD
SCHEMBL14650779 0.74 UBE2T (0.51) HRH3ME2ME1ME3PPARA
SCHEMBL21241225 0.73 GRIN2D (0.42) GPR119HSD17B10HPGDNPSR1LMNA
SCHEMBL27837554 0.73 UBE2T (0.50) HRH3DHFRHSD17B10NPSR1LMNA
SCHEMBL22581906 0.72 GPR119 (0.60) GPR119HPGDSMN1; SMN2DDB1CRBN
SCHEMBL30620934 0.72 GPR119 (0.60) GPR119DDB1CRBNRETCKS1B
SCHEMBL12696744 0.72 HRH3 (0.44) HRH3ME2ME1ME3PPARA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012126984-A1 NOVEL SUBSTITUTED TRIAZOLYL PIPERAZINE AND TRIAZOLYL PIPERIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals, Inc. (US) 2012-09-27 — — WO disclosed
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